SCHEMBL27827077

SCHEMBL27827077

O=C(O)Cc1ccccc1-c1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ AKR1B1 P15121 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ GRIN3A Q8TCU5 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ PTGER3 P43115 1/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ PTGS2 P35354 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL455572 0.84 KDM4E (0.47) STAT3STAT1TDP1KDM4EMEN1
SCHEMBL9450936 0.83 STAT3 (0.37) STAT3STAT1AKR1B1TDP1GRIN2D
SCHEMBL28827036 0.82 KDM4E (0.46) STAT3STAT1TDP1KDM4EMEN1
SCHEMBL28919689 0.82 KDM4E (0.46) STAT3STAT1TDP1KDM4EMEN1
SCHEMBL29253951 0.82 KDM4E (0.46) STAT3STAT1TDP1KDM4EMEN1
Hydrochloric Acid SCHEMBL8765412 0.82 KDM4E (0.46) STAT3STAT1TDP1KDM4EMEN1
SCHEMBL4268982 0.81 STAT3 (0.55) STAT3STAT1AKR1B1TDP1GRIN2D
SCHEMBL28599190 0.79 ABCC4 (0.39) STAT3STAT1GRIN2DGRIN3BGRIN1
SCHEMBL2849617 0.78 F7 (0.40) STAT3STAT1KDM4EMEN1KMT2A
SCHEMBL28133022 0.78 F7 (0.40) STAT3STAT1KDM4EMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102227432-A Process for preparing chlorins and their pharmaceutical uses UNIV DE COIMBRA 2011-10-26 — — CN disclosed
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